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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL226694
CHEMBL226694
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C40H50N6O4

Additional synonyms for CHEMBL226694 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)[C@H](NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34) ...
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Standard InChI InChI=1S/C40H50N6O4/c1-23(2)36(44-38(48)27-18-29-28-13-9-14- ...
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Standard InChI Key CWFYFSVSDFREOX-HNLGHXBASA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL226694

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
678.9 678.3894 4.47 10 140.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 4 1 10 5 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.66 7.06 8.56 8.4 3 50 0.25

Structural Alerts

There are 2 structural alerts for CHEMBL226694. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CWFYFSVSDFREOX-HNLGHXBASA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL226694



BindingDB 50214404
PubChem 16732736
PubChem: Thomson Pharma 26690916
ZINC ZINC000028655512

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/CWFYFSVSDFREOX-HNLGHXBASA-N spacer
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